1-ethyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C18H31N4O2+3 MolecularWeight: 335.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O2/c1-2-19-11-13-21(14-12-19)17-7-9-20(10-8-17)15-16-5-3-4-6-18(16)22(23)24/h3-6,17H,2,7-15H2,1H3/p+3